ChemSpider 2D Image | (5xi,6S)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-alpha-L-glycero-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-(2xi)-2-acetami do-2-deoxy-D-xylo-hexose | C31H52N2O23

(5ξ,6S)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-L-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-(2ξ)-2-acetami do-2-deoxy-D-xylo-hexose

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID68027612

  • defined stereocentres - 18 of 20 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5ξ,6S)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-L-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-(2ξ)-2-acetami do-2-deoxy-D-xylo-hexose [ACD/IUPAC Name]
(5ξ,6S)-5-Acetamido-3,5-didesoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-L-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->3)]-(2ξ)-2-aceta mido-2-desoxy-D-xylo-hexose [German] [ACD/IUPAC Name]
(5ξ,6S)-5-Acétamido-3,5-didésoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-L-glycéro-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->3)]-(2ξ)-2-acéta mido-2-désoxy-D-xylo-hexose [French] [ACD/IUPAC Name]
D-xylo-Hexose, O(5ξ)-5-(acetylamino)-3,5-dideoxy-α-L-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-, (2ξ )- [ACD/Index Name]
sialyl lewis X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1285.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 217.0±6.0 kJ/mol
Flash Point: 731.4±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -6.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 411 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 102.4±5.0 dyne/cm
Molar Volume: 492.0±5.0 cm3

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